CID 1206647

N-(2-chlorophenyl)-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C16H14ClN5OS
SMILES
CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C16H14ClN5OS/c1-11-6-8-12(9-7-11)22-16(19-20-21-22)24-10-15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKey
MUFSMJVCSFZQLK-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.06076 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.06804 180.0
[M+Na]+ 382.04998 190.1
[M-H]- 358.05348 185.4
[M+NH4]+ 377.09458 190.3
[M+K]+ 398.02392 182.6
[M+H-H2O]+ 342.05802 170.0
[M+HCOO]- 404.05896 191.4
[M+CH3COO]- 418.07461 190.0
[M+Na-2H]- 380.03543 180.7
[M]+ 359.06021 184.7
[M]- 359.06131 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.